4-[2-[3-(3-acetamido-4-methyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[3-(3-acetamido-4-methyl-phenyl)-6-oxidanylidene-pyridazin-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[3-(3-acetamido-4-methyl-phenyl)-6-oxo-pyridazin-1-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[3-(3-acetamido-4-methylphenyl)-6-oxo-1-pyridazinyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[3-(3-acetamido-4-methyl-phenyl)-6-keto-pyridazin-1-yl]acetyl]amino]benzamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)C(=O)N)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)NC3=CC=C(C=C3)C(=O)N)NC(=O)C

InChI

InChI=1S/C22H21N5O4/c1-13-3-4-16(11-19(13)24-14(2)28)18-9-10-21(30)27(26-18)12-20(29)25-17-7-5-15(6-8-17)22(23)31/h3-11H,12H2,1-2H3,(H2,23,31)(H,24,28)(H,25,29)